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4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide

C17H16BrClN2O2 — CID 112998260

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C17H16BrClN2O2/c1-10-7-11(2)16(14(19)8-10)21-15(22)9-20-17(23)12-3-5-13(18)6-4-12/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyPCYITJFXPHTSAR-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.09
Rot. Bonds4

About 4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide

4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide (PubChem CID 112998260) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide
PubChem CID112998260
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C17H16BrClN2O2/c1-10-7-11(2)16(14(19)8-10)21-15(22)9-20-17(23)12-3-5-13(18)6-4-12/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyPCYITJFXPHTSAR-UHFFFAOYSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide (CID 112998260) is 4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide is Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of 4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide?
The InChIKey is PCYITJFXPHTSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-10-7-11(2)16(14(19)8-10)21-15(22)9-20-17(23)12-3-5-13(18)6-4-12/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide?
4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide has a molecular weight of 395.68 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 112998260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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